5-[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole

C19H17BrFN3O3S — CID 51613793

IUPAC5-[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1
InChIInChI=1S/C19H17BrFN3O3S/c20-15-6-8-17(9-7-15)28(25,26)24-10-2-4-14(12-24)19-22-18(23-27-19)13-3-1-5-16(21)11-13/h1,3,5-9,11,14H,2,4,10,12H2/t14-/m0/s1
InChIKeyVVWGZVASOXGOFL-AWEZNQCLSA-N
MW466.33 g/mol
LogP4.21
Rot. Bonds4

About 5-[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole

5-[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 51613793) has the molecular formula C19H17BrFN3O3S and a molecular weight of 466.33 g/mol. Its IUPAC name is 5-[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
PubChem CID51613793
Molecular FormulaC19H17BrFN3O3S
Molecular Weight466.33 g/mol
Exact Mass465.02
IUPAC Name5-[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1
InChIInChI=1S/C19H17BrFN3O3S/c20-15-6-8-17(9-7-15)28(25,26)24-10-2-4-14(12-24)19-22-18(23-27-19)13-3-1-5-16(21)11-13/h1,3,5-9,11,14H,2,4,10,12H2/t14-/m0/s1
InChIKeyVVWGZVASOXGOFL-AWEZNQCLSA-N
XLogP4.21
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.33
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
CID 45498643
5-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 51613784
5-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 50799537
5-[1-(benzenesulfonyl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 3225890
5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 46350393
5-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole
CID 3225926
5-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole
CID 1457530
3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 22424714
(3R)-N-cyclohexyl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-1-sulfonamide
CID 98731404
5-[(3S)-1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 1454479
5-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(2-ethoxyphenyl)-1,2,4-oxadiazole
CID 92751686
3-(4-fluorophenyl)-5-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 1453941

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole (CID 51613793) is 5-[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole is O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1.
What is the InChIKey of 5-[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is VVWGZVASOXGOFL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H17BrFN3O3S/c20-15-6-8-17(9-7-15)28(25,26)24-10-2-4-14(12-24)19-22-18(23-27-19)13-3-1-5-16(21)11-13/h1,3,5-9,11,14H,2,4,10,12H2/t14-/m0/s1.
What are the key properties of 5-[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole?
5-[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 466.33 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 51613793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).